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141939-04-0 | 1H-Pyridazino[3,4-b]indole, 1-(1H-benzimidazol-2-yl)-3-phenyl-
CAS No: 141939-04-0 Catalog No: AG001HEY MDL No:
Product Description
Catalog Number:
AG001HEY
Chemical Name:
1H-Pyridazino[3,4-b]indole, 1-(1H-benzimidazol-2-yl)-3-phenyl-
CAS Number:
141939-04-0
Molecular Formula:
C23H15N5
Molecular Weight:
361.3987
IUPAC Name:
1-(1H-benzimidazol-2-yl)-3-phenylpyridazino[3,4-b]indole
InChI:
InChI=1S/C23H15N5/c1-2-8-15(9-3-1)21-14-17-16-10-4-5-11-18(16)24-22(17)28(27-21)23-25-19-12-6-7-13-20(19)26-23/h1-14H,(H,25,26)
InChI Key:
VABIYTKHXQUTGQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nn(c2nc3c([nH]2)cccc3)c2c(c1)c1ccccc1n2
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.133g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.408g/mol
Monoisotopic Mass:
361.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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